Acta Cryst. (2009). E65, i34  [ doi:10.1107/S1600536809012495 ]

The Chevrel phase HgMo₆S₈

D. Salloum, P. Gougeon and M. Potel

Online 18 April 2009

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Mo-S) = 0.001 Å
• Disorder in main residue
• R factor = 0.025
• wR factor = 0.026
• Data-to-parameter ratio = 36.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mo1    --  S1      ..      12.34 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mo1    --  S2_f    ..      10.80 su   

Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  S2      ..       9.77 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  S2_d    ..       8.95 su   
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.33 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?

Alert level G
PLAT301_ALERT_3_G Note Main Residue  Disorder ....................      13.00 Perc.
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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